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Caesaldekarin B

View entire compound with spectra: 2 MS (GC)

Caesaldekarin B
SpectraBase Compound ID JvbNfr1hgKX
InChI InChI=1S/C20H30O3/c1-12-13-6-9-23-16(13)11-15-14(12)10-17(21)20(22)18(2,3)7-5-8-19(15,20)4/h6,9,12,14-15,17,21-22H,5,7-8,10-11H2,1-4H3/t12-,14-,15-,17+,19+,20+/m0/s1
InChIKey VVTANXRWACJOPI-GMLOIOGESA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30TMGXXB67
Name Caesaldekarin B
Alternate Name(s) (4aR,5R,6aS,7R,11aS,11bR)-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4a,5-diol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-12-13-6-9-23-16(13)11-15-14(12)10-17(21)20(22)18(2,3)7-5-8-19(15,20)4/h6,9,12,14-15,17,21-22H,5,7-8,10-11H2,1-4H3/t12-,14-,15-,17+,19+,20+/m0/s1
InChIKey VVTANXRWACJOPI-GMLOIOGESA-N
Molecular Weight 318.457 g/mol
SMILES O[C@]12[C@@](C[C@@]3([C@@]([C@]2(CCCC1(C)C)C)(Cc1c([C@@]3(C)[H])cco1)[H])[H])(O)[H]
SPLASH splash10-0aor-0908000000-9f5378eb083e8c9de038
Source of Spectrum E1-42-1801-2
Wiley ID 1552764